AA26997
1237081-74-1 | 2-Chloro-4-(3-methoxyphenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA26997
ChemicalName
2-Chloro-4-(3-methoxyphenyl)benzonitrile
CasNumber
1237081-74-1
MolecularFormula
C14H10ClNO
MolecularWeight
243.6883
MdlNumber
MFCD21333017
Smiles
COc1cccc(c1)c1ccc(c(c1)Cl)C#N
Complexity
298
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.9
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CatalogNumber: AA26997
ChemicalName: 2-Chloro-4-(3-methoxyphenyl)benzonitrile
CasNumber: 1237081-74-1
MolecularFormula: C14H10ClNO
MolecularWeight: 243.6883
MdlNumber: MFCD21333017
Smiles: COc1cccc(c1)c1ccc(c(c1)Cl)C#N
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AA26997
ChemicalName:
2-Chloro-4-(3-methoxyphenyl)benzonitrile
CasNumber:
1237081-74-1
MolecularFormula:
C14H10ClNO
MolecularWeight:
243.6883
MdlNumber:
MFCD21333017
Smiles:
COc1cccc(c1)c1ccc(c(c1)Cl)C#N
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1Cl)c1ccccc1C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)c1ccc(cc1Cl)c1ccccc1C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA26999
ChemicalName: 2-Chloro-4-(3-methoxyphenyl)benzoic acid
CasNumber: 1237071-49-6
MolecularFormula: C14H11ClO3
MolecularWeight: 262.6883
MdlNumber: MFCD18319507
Smiles: COc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AA26999
ChemicalName:
2-Chloro-4-(3-methoxyphenyl)benzoic acid
CasNumber:
1237071-49-6
MolecularFormula:
C14H11ClO3
MolecularWeight:
262.6883
MdlNumber:
MFCD18319507
Smiles:
COc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCO[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1cc(C=O)c(c2)OCOC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCO[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1cc(C=O)c(c2)OCOC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__